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$Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene$

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nmfMapping: a cloud-based web application for non-negative matrix factorization of powder diffraction and pair

Zachary Thatcher¹, Chia Hao Liu¹, Long Yang¹

¹Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY 10027, USA.

Acta Crystallographica. Section A, Foundations and Advances

|May 3, 2022

Summary

This summary is machine-generated.

nmfMapping is a new web-based software for non-negative matrix factorization (NMF) of diffraction data. It enables structure scientists to quickly identify trends in complex datasets from in situ and operando experiments.

Keywords:

NMF PDF data analysis non-negative matrix factorization pair distribution function web applications

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Area of Science:

Materials Science
Crystallography
Data Analysis

Background:

Non-negative matrix factorization (NMF) is a powerful technique for analyzing complex datasets.
Analyzing large datasets from in situ and operando diffraction experiments can be challenging.
Existing tools may require programming expertise, limiting accessibility for structure scientists.

Purpose of the Study:

To introduce nmfMapping, a cloud-hosted, web-based software application.
To provide a user-friendly platform for performing NMF on powder diffraction and atomic pair distribution function (PDF) datasets.
To facilitate rapid trend identification in scientific data.

Main Methods:

Development of a cloud-hosted, web-based software application named nmfMapping.
Implementation of non-negative matrix factorization algorithms.
Designed for processing powder diffraction and atomic pair distribution function datasets.

Main Results:

nmfMapping enables rapid trend identification in sets of related data.
The application is accessible via a web browser and requires no programming expertise.
It is particularly useful for analyzing data from in situ and operando diffraction experiments.

Conclusions:

nmfMapping offers an accessible and efficient solution for analyzing complex diffraction data.
The software empowers structure scientists to extract meaningful trends from experimental datasets.
It democratizes the use of NMF for materials science research.